⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7196458 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL272199 | 0.91 | — | — | |
| SCHEMBL6435234 | 0.84 | — | — | |
| SCHEMBL6434287 | 0.84 | ALDH1A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL7196704 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL7196688 | 0.83 | NPC1 (0.31) | — | |
| SCHEMBL4006672 | 0.82 | ALDH1A1 (0.38) | — | |
| SCHEMBL6436743 | 0.81 | — | — | |
| SCHEMBL8857282 | 0.80 | GPR3 (0.32) | — | |
| Hydrochloric Acid SCHEMBL7194054 | 0.80 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1092730-B1 | PROCESS FOR PRODUCING OLEFIN POLYMER AND OLEFIN POLYMER | MITSUI CHEMICALS INC (JP) | 2005-03-23 | — | — | EP | disclosed |
| EP-0754698-A2 | An olefin polymerization catalyst and a process for preparing olefin polymer | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1997-01-22 | — | — | EP | disclosed |